| Explicit dynamical electron− proton correlation in the nuclear− electronic orbital framework C Swalina, MV Pak, A Chakraborty, S Hammes-Schiffer The Journal of Physical Chemistry A 110 (33), 9983-9987, 2006 | 121 | 2006 |
| Development of electron-proton density functionals for multicomponent density functional theory A Chakraborty, MV Pak, S Hammes-Schiffer Physical review letters 101 (15), 153001, 2008 | 111 | 2008 |
| Development of a practical multicomponent density functional for electron-proton correlation to produce accurate proton densities Y Yang, KR Brorsen, T Culpitt, MV Pak, S Hammes-Schiffer The Journal of Chemical Physics 147 (11), 2017 | 92 | 2017 |
| Is the accuracy of density functional theory for atomization energies and densities in bonding regions correlated? KR Brorsen, Y Yang, MV Pak, S Hammes-Schiffer The journal of physical chemistry letters 8 (9), 2076-2081, 2017 | 89 | 2017 |
| Alternative formulation of many-body perturbation theory for electron–proton correlation C Swalina, MV Pak, S Hammes-Schiffer Chemical physics letters 404 (4-6), 394-399, 2005 | 89 | 2005 |
| Inclusion of explicit electron-proton correlation in the nuclear-electronic orbital approach using Gaussian-type geminal functions A Chakraborty, MV Pak, S Hammes-Schiffer The Journal of chemical physics 129 (1), 2008 | 88 | 2008 |
| Density functional theory treatment of electron correlation in the nuclear− electronic orbital approach MV Pak, A Chakraborty, S Hammes-Schiffer The Journal of Physical Chemistry A 111 (20), 4522-4526, 2007 | 86 | 2007 |
| Investigation of isotope effects with the nuclear-electronic orbital approach A Reyes, MV Pak, S Hammes-Schiffer The Journal of chemical physics 123 (6), 2005 | 86 | 2005 |
| Electron-proton correlation for hydrogen tunneling systems MV Pak, S Hammes-Schiffer Physical review letters 92 (10), 103002, 2004 | 84 | 2004 |
| Nuclear-electronic orbital nonorthogonal configuration interaction approach JH Skone, MV Pak, S Hammes-Schiffer The Journal of chemical physics 123 (13), 2005 | 65 | 2005 |
| Application of the nuclear–electronic orbital method to hydrogen transfer systems: multiple centers and multiconfigurational wavefunctions MV Pak, C Swalina, SP Webb, S Hammes-Schiffer Chemical physics 304 (1-2), 227-236, 2004 | 53 | 2004 |
| Properties of the exact universal functional in multicomponent density functional theory A Chakraborty, MV Pak, S Hammes-Schiffer The Journal of chemical physics 131 (12), 2009 | 50 | 2009 |
| Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method PE Adamson, XF Duan, LW Burggraf, MV Pak, C Swalina, ... The Journal of Physical Chemistry A 112 (6), 1346-1351, 2008 | 49 | 2008 |
| Multicomponent density functional theory study of the interplay between electron-electron and electron-proton correlation A Sirjoosingh, MV Pak, S Hammes-Schiffer The Journal of Chemical Physics 136 (17), 2012 | 44 | 2012 |
| Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach A Sirjoosingh, MV Pak, KR Brorsen, S Hammes-Schiffer The Journal of chemical physics 142 (21), 2015 | 43 | 2015 |
| Derivation of an electron–proton correlation functional for multicomponent density functional theory within the nuclear–electronic orbital approach A Sirjoosingh, MV Pak, S Hammes-Schiffer Journal of Chemical Theory and Computation 7 (9), 2689-2693, 2011 | 41 | 2011 |
| Reduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Theoretical formulation A Sirjoosingh, MV Pak, C Swalina, S Hammes-Schiffer The Journal of chemical physics 139 (3), 2013 | 39 | 2013 |
| Analysis of the nuclear-electronic orbital method for model hydrogen transfer systems C Swalina, MV Pak, S Hammes-Schiffer The Journal of chemical physics 123 (1), 2005 | 38 | 2005 |
| GAMESS (General atomic and molecular electronic structure system) MW Schmids QCPE Bull. 10, 52, 1990 | 38 | 1990 |
| Alternative wavefunction ansatz for including explicit electron-proton correlation in the nuclear-electronic orbital approach C Ko, MV Pak, C Swalina, S Hammes-Schiffer The Journal of chemical physics 135 (5), 2011 | 32 | 2011 |
Sharon Hammes-SchifferPrinceton UniversityVerified email at princeton.edu
